The Benzenemethanamine,4-(bromomethyl)-, hydrobromide (1:1) with CAS registry number of 34403-47-9 is also known as Benzenemethanamine,4-(bromomethyl)-, hydrobromide (1:1). The IUPAC name is [4-(Bromomethyl)phenyl]methanamine hydrobromide. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds. In addition, the formula is C8H10BrN.BrH and the molecular weight is 280.99.
Physical properties about Benzenemethanamine,4-(bromomethyl)-, hydrobromide (1:1) are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.02Å2; (7)Flash Point: 141.1 °C; (8)Enthalpy of Vaporization: 56.8 kJ/mol; (9)Boiling Point: 309.6 °C at 760 mmHg; (10)Vapour Pressure: 0.00039 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CN)CBr.Br
2. InChI: InChI=1S/C8H10BrN.BrH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4H,5-6,10H2;1H
3. InChIKey: QHPODHRWGASQGE-UHFFFAOYSA-N
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